ChemSpider 2D Image | (3S,4S)-4,8-Dihydroxy-3-methyl-3,4-dihydro-1(2H)-naphthalenone | C11H12O3

(3S,4S)-4,8-Dihydroxy-3-methyl-3,4-dihydro-1(2H)-naphthalenone

  • Molecular FormulaC11H12O3
  • Average mass192.211 Da
  • Monoisotopic mass192.078644 Da
  • ChemSpider ID24668196
  • defined stereocentres - 2 of 2 defined stereocentres


More details:






Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(3S,4S)-4,8-Dihydroxy-3-méthyl-3,4-dihydro-1(2H)-naphtalénone [French] [ACD/IUPAC Name]
(3S,4S)-4,8-Dihydroxy-3-methyl-3,4-dihydro-1(2H)-naphthalenone [ACD/IUPAC Name]
(3S,4S)-4,8-Dihydroxy-3-methyl-3,4-dihydro-1(2H)-naphthalinon [German] [ACD/IUPAC Name]
1(2H)-Naphthalenone, 3,4-dihydro-4,8-dihydroxy-3-methyl-, (3S,4S)- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 372.1±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 65.3±3.0 kJ/mol
Flash Point: 193.0±24.4 °C
Index of Refraction: 1.610
Molar Refractivity: 51.3±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 1.82
ACD/LogD (pH 5.5): 1.97
ACD/BCF (pH 5.5): 18.35
ACD/KOC (pH 5.5): 279.13
ACD/LogD (pH 7.4): 1.90
ACD/BCF (pH 7.4): 15.75
ACD/KOC (pH 7.4): 239.68
Polar Surface Area: 58 Å2
Polarizability: 20.4±0.5 10-24cm3
Surface Tension: 56.4±3.0 dyne/cm
Molar Volume: 148.2±3.0 cm3

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